SCHEMBL13239262

SCHEMBL13239262

Cc1cc(Cl)cc(C)c1-c1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.39
PTGS1 P23219 5/20 0.38
EPAS1 Q99814 3/20 0.38
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13239271 0.83 EPAS1 (0.39) EPAS1
SCHEMBL8359389 0.79 EPAS1 (0.46) PTGS2PTGS1EPAS1
SCHEMBL17694914 0.79 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL31204476 0.78 TSHR (0.46) PTGS2PTGS1EPAS1
SCHEMBL31305332 0.73 EPAS1 (0.50) PTGS2PTGS1EPAS1
SCHEMBL779828 0.73 EPAS1 (0.50) PTGS2PTGS1EPAS1
SCHEMBL1411728 0.72 CA1 (0.46) PTGS2PTGS1EPAS1MAPT
SCHEMBL31204254 0.72 CA1 (0.46) PTGS2PTGS1EPAS1MAPT
SCHEMBL20061708 0.72 RARB (0.43)
SCHEMBL12056411 0.72 EPAS1 (0.30) PTGS2EPAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-7732021-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US disclosed
US-7635505-B2 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2009-12-22 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed
US-20080277623-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-11-13 US disclosed
US-20080128653-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-06-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080277623-A1 Liquid Crystalline Medium CHRM1, NEFM, CCNT1 PTGS2 3886/4885PTGS1 1749/4885EPAS1 4116/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.